N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine

C18H20F3N3 — CID 44548687

IUPACN-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccccc1-c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-9-5-4-8-14(15)16-11-24-17(12-22-16)23-10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,23,24)
InChIKeyVMHHENJQIJJPAC-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.15
Rot. Bonds4

About N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine

N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 44548687) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID44548687
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccccc1-c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-9-5-4-8-14(15)16-11-24-17(12-22-16)23-10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,23,24)
InChIKeyVMHHENJQIJJPAC-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 44548687) is N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine is FC(F)(F)c1ccccc1-c1cnc(NCC2CCCCC2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is VMHHENJQIJJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)15-9-5-4-8-14(15)16-11-24-17(12-22-16)23-10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,23,24).
What are the key properties of N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine?
N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 44548687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).